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NCID-ZINC05371431

 MMsINC code: MMs02456016
Type: Neutral
Formula: C14H21NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1N
InChI:   InChI=1/C14H21NO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=53.4298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.32 g/mol  logS: -1.11623  SlogP: -0.9718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162455  Sterimol/B1: 3.62239  Sterimol/B2: 4.14037  Sterimol/B3: 4.79316
  Sterimol/B4: 7.50541  Sterimol/L: 15.2168 
 
 Surface and Volume Properties
  Accessible surface: 613.752  Positive charged surface: 386.141  Negative charged surface: 227.611  Volume: 303.625
  Hydrophobic surface: 417.817  Hydrophilic surface: 195.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.